5-phenyl-4,5-dihydro-1H-imidazol-2-amine

C9H11N3 — CID 11298130

IUPAC5-phenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccccc2)N1
InChIInChI=1S/C9H11N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,10,11,12)
InChIKeyBHUSOIQBDQNPAZ-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.65
Rot. Bonds1

About 5-phenyl-4,5-dihydro-1H-imidazol-2-amine

5-phenyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11298130) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-phenyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11298130
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-phenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccccc2)N1
InChIInChI=1S/C9H11N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,10,11,12)
InChIKeyBHUSOIQBDQNPAZ-UHFFFAOYSA-N
XLogP0.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-phenyl-4,5-dihydro-1H-imidazol-2-amine (CID 11298130) is 5-phenyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-phenyl-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(c2ccccc2)N1.
What is the InChIKey of 5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BHUSOIQBDQNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,10,11,12).
What are the key properties of 5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
5-phenyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 161.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11298130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).